Chemical Properties of Propanenitrile, 3,3'-oxybis- (CAS 1656-48-0)

InChI

InChI=1S/C6H8N2O/c7-3-1-5-9-6-2-4-8/h1-2,5-6H2

InChI Key

BCGCCTGNWPKXJL-UHFFFAOYSA-N

Formula

C6H8N2O

SMILES

N#CCCOCCC#N

Molecular Weight¹

124.14

CAS

1656-48-0

Other Names

• Propionitrile, 3,3'-oxydi-
• «beta»,«beta»'-Bis(cyanoethyl) ether
• «beta»,«beta»'-Dicyanodiethyl ether
• «beta»,«beta»'-Oxydipropionitrile
• Bis(2-cyanoethyl) ether
• 3,3'-Oxydipropionitrile
• Bis(cyanoethyl)ether
• 2-Cyanoethyl ether
• «beta», «beta»-oxydipropionitrile
• 2,2'-Dicyanodiethyl ether
• di(2-Cyanoethyl)ether
• 3,3-Oxydipropionitrile
• Ether, bis(2-cyanoethyl)
• 2,2'-Oxydiethankarbonitril
• Bis(«beta»-Cyanoethyl) ether
• O(CH2CH2CN)2
• NSC 7769
• 3,3'-oxydipropiononitrile

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	813.80	kJ/mol	NIST
BasG	786.40	kJ/mol	NIST
ΔfG°	161.00	kJ/mol	Joback Calculated Property
ΔfH°gas	30.37	kJ/mol	Joback Calculated Property
ΔfusH°	15.50	kJ/mol	Joback Calculated Property
ΔvapH°	52.32	kJ/mol	Joback Calculated Property
log10WS	-1.15		Crippen Calculated Property
logPoct/wat	0.830		Crippen Calculated Property
McVol	104.030	ml/mol	McGowan Calculated Property
Pc	2887.40	kPa	Joback Calculated Property
Tboil	563.26	K	Joback Calculated Property
Tc	769.29	K	Joback Calculated Property
Tfus	[246.77; 246.85]	K
Tfus	246.77 ± 0.30	K	NIST
Tfus	246.85 ± 0.20	K	NIST
Vc	0.442	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[228.68; 269.44]	J/mol×K	[563.26; 769.29]
Cp,gas	228.68	J/mol×K	563.26	Joback Calculated Property
Cp,gas	236.32	J/mol×K	597.60	Joback Calculated Property
Cp,gas	243.62	J/mol×K	631.94	Joback Calculated Property
Cp,gas	250.59	J/mol×K	666.27	Joback Calculated Property
Cp,gas	257.22	J/mol×K	700.61	Joback Calculated Property
Cp,gas	263.50	J/mol×K	734.95	Joback Calculated Property
Cp,gas	269.44	J/mol×K	769.29	Joback Calculated Property

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[384.20; 460.00]	K	[0.07; 2.10]
Tboilr	384.20	K	0.07	NIST
Tboilr	460.00 ± 1.00	K	2.10	NIST

Similar Compounds

Find more compounds similar to Propanenitrile, 3,3'-oxybis-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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